N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine

C16H25NO — CID 115563698

IUPACN-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCc1ccc(CNC2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-5-6-14(13(2)9-12)11-17-15-7-8-18-16(3,4)10-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3
InChIKeyBETITMQYILMREB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.35
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine

N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine (PubChem CID 115563698) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
PubChem CID115563698
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
SMILESCc1ccc(CNC2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-5-6-14(13(2)9-12)11-17-15-7-8-18-16(3,4)10-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3
InChIKeyBETITMQYILMREB-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 113336602
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563621
4-bromo-2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenol
CID 103846797
N-[(4-ethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563697
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
(4S)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753865
N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 2863086
(4R)-N-(furan-2-ylmethyl)-2,2-dimethyloxan-4-amine
CID 753866
N-[(3-chloro-5-fluorophenyl)methyl]-2,2-dimethyloxan-4-amine
CID 114453071
5-[[(2,2-dimethyloxan-4-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115563750
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine (CID 115563698) is N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine is Cc1ccc(CNC2CCOC(C)(C)C2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
The InChIKey is BETITMQYILMREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-6-14(13(2)9-12)11-17-15-7-8-18-16(3,4)10-15/h5-6,9,15,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine?
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine has a molecular weight of 247.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 115563698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).